ethyl 2-azanyl-6-[4-(2-fluorophenyl)phenyl]-5-methyl-3-nitro-pyridine-4-carboxylate

Systemtic Name: ethyl 2-azanyl-6-[4-(2-fluorophenyl)phenyl]-5-methyl-3-nitro-pyridine-4-carboxylate Openeye Name: ethyl 2-amino-6-[4-(2-fluorophenyl)phenyl]-5-methyl-3-nitro-pyridine-4-carboxylate CAS Name: 2-amino-6-[4-(2-fluorophenyl)phenyl]-5-methyl-3-nitro-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-[4-(2-fluorophenyl)phenyl]-5-methyl-3-nitropyridine-4-carboxylate Traditional Name: 2-amino-6-[4-(2-fluorophenyl)phenyl]-5-methyl-3-nitro-isonicotinic acid ethyl ester Formula: C21H18FN3O4 MolecularWeight: 395.383723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=C1[N+](=O)[O-])N)C2=CC=C(C=C2)C3=CC=CC=C3F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=C1[N+](=O)[O-])N)C2=CC=C(C=C2)C3=CC=CC=C3F)C

InChI

InChI=1S/C21H18FN3O4/c1-3-29-21(26)17-12(2)18(24-20(23)19(17)25(27)28)14-10-8-13(9-11-14)15-6-4-5-7-16(15)22/h4-11H,3H2,1-2H3,(H2,23,24)